N-Lauroylglycyldaunomycin
N-[2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-2-oxoethyl]dodecanamide
Also Known As: N-Lauroylglycyldaunomycin|N-(N'-Palmitoylglycyl)daunomycin|DAUNOMYCIN, N-(N'-DODECANOYLGLYCYL)-|N-[2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-2-oxoethyl]dodecanamide|N-[2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-|3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(2-dodecanamidoacetamido)hexopyranoside
| Molecular Formula | C41H54N2O12 |
|---|---|
| Molecular Weight | 766.3677 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 766.3677 |
| Monoisotopic Mass | 766.3677 |
| Heavy Atoms | 55 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 62327-72-4 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)NCC(=O)NC1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O |
| InChIKey | QAULPMXCZRAXGZ-UHFFFAOYSA-N |
Product Overview
N-Lauroylglycyldaunomycin (CAS 62327-72-4), with molecular formula C41H54N2O12 and molecular weight 766.3677 g/mol. IUPAC: N-[2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-2-oxoethyl]dodecanamide.